(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine

C8H11BrN2O2S2 — CID 115302272

IUPAC(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
SMILESN[C@H]1CCN(S(=O)(=O)c2sccc2Br)C1
InChIInChI=1S/C8H11BrN2O2S2/c9-7-2-4-14-8(7)15(12,13)11-3-1-6(10)5-11/h2,4,6H,1,3,5,10H2/t6-/m0/s1
InChIKeyPLZHUOSPFSLWGI-LURJTMIESA-N
MW311.23 g/mol
LogP1.23
Rot. Bonds2

About (3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine

(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine (PubChem CID 115302272) has the molecular formula C8H11BrN2O2S2 and a molecular weight of 311.23 g/mol. Its IUPAC name is (3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
PubChem CID115302272
Molecular FormulaC8H11BrN2O2S2
Molecular Weight311.23 g/mol
Exact Mass309.94
IUPAC Name(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
SMILESN[C@H]1CCN(S(=O)(=O)c2sccc2Br)C1
InChIInChI=1S/C8H11BrN2O2S2/c9-7-2-4-14-8(7)15(12,13)11-3-1-6(10)5-11/h2,4,6H,1,3,5,10H2/t6-/m0/s1
InChIKeyPLZHUOSPFSLWGI-LURJTMIESA-N
XLogP1.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
CID 66291405
1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300299
1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896811
1-(3-bromothiophen-2-yl)sulfonylpiperidine-3,4-dicarboxylic acid
CID 115917687
3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 80673187
1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol
CID 63104958
1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 61072332
1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine
CID 61067418
(3S)-1-(3-bromothiophen-2-yl)sulfonyl-3-methylpiperazine
CID 104976618
4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 82701018
(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 81120170

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine (CID 115302272) is (3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine is N[C@H]1CCN(S(=O)(=O)c2sccc2Br)C1.
What is the InChIKey of (3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine?
The InChIKey is PLZHUOSPFSLWGI-LURJTMIESA-N. The full InChI is InChI=1S/C8H11BrN2O2S2/c9-7-2-4-14-8(7)15(12,13)11-3-1-6(10)5-11/h2,4,6H,1,3,5,10H2/t6-/m0/s1.
What are the key properties of (3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine?
(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine has a molecular weight of 311.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 115302272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).